4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-2-naphthylmethyleneamino]benzamide CAS Name: 4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-N-[(E)-2-naphthalenylmethylideneamino]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide Traditional Name: 4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-N-[(E)-2-naphthylmethyleneamino]benzamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=CC=C(C=C2)C(=O)NN=CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN1C=NN=C1SCC2=CC=C(C=C2)C(=O)N/N=C/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H19N5OS/c1-27-15-24-26-22(27)29-14-16-6-10-19(11-7-16)21(28)25-23-13-17-8-9-18-4-2-3-5-20(18)12-17/h2-13,15H,14H2,1H3,(H,25,28)/b23-13+